"Vibronic Interactions and the Jahn-Teller Effect: Theory and Applications" ed. by Mihail Atanasov, Claude Daul, Philip Tregenna-Piggott
Progress in Theoretical Chemistry and Physics, Volume B 23
SprSBM| 2012 | ISBN: 9400794045 9400723830 9789400723832 9789400723849 | 446 pages | PDF | 13 MB
Progress in Theoretical Chemistry and Physics, Volume B 23
SprSBM| 2012 | ISBN: 9400794045 9400723830 9789400723832 9789400723849 | 446 pages | PDF | 13 MB
The book focuses on the effect of vibronic coupling on the chemical and physical properties of substances. The book presents, in a concise way, recent achievements and new developments on a wide range of topics related to the Jahn-Teller effect and vibronic interactions.
Contents
1 Critical Review of Contributions to the Jahn-Teller Symposium JT2010 and Beyond
Part I Jahn-Teller Effect and Vibronic Interactions: General Theory
2 Density Functional Theory Study of the Multimode Jahn-Teller Effect – Ground State Distortion of Benzene Cation
3 A Symmetry Adapted Approach to the Dynamic Jahn-Teller Problem
4 Group-Theoretical Treatment of Pseudo-Jahn-Teller Systems
Part II Jahn-Teller Effect and Vibronic Interactions in Impurity Centers in Crystals
5 The Dynamic Jahn-Teller Effect in Cu(II)/MgO
6 Dynamic and Static Jahn-Teller Effect in Impurities: Determination of the Tunneling Splitting
7 Experimental Evaluation of the Jahn-Teller Effect Parameters by Means of Ultrasonic Measurements. Application to Impurity Centers in Crystals
8 Raman Scattering forWeakened Bonds in the Intermediate States of Impurity Centres
9 Vibronic Transitions to a State with Jahn-Teller Effect: Contribution of Phonons
10 Many-ElectronMultiplet Theory Applied to O-Vacancies in (i) Nanocrystalline HfO2 and (ii) Non-crystalline SiO2 and Si Oxynitride Alloys
Part III Fullerenes, Fullerides and Related Systems
11 C60 Molecules on Surfaces: The Role of Jahn–Teller Effects and Surface Interactions
12 The Quadratic p3⊗ h Jahn–Teller System as a Model for the C3−60 Anion
13 Estimation of the Vibronic Coupling Constants of Fullerene Monoanion: Comparison Between Experimental and Simulated Results
14 Investigations of the Boron Buckyball B80: Bonding Analysis and Chemical Reactivity
Part IV Conical Intersections and Interplay Between Jahn-Teller Coupling and Spin-Orbit Coupling: Theory and Manifestations in Magnetism and Spectroscopy
15 Adiabatic to Diabatic Transformation and Nuclear Dynamics on Diabatic Hamiltonian Constructed by Using Ab Initio Potential Energy Surfaces and Non-adiabatic Coupling Terms for Excited States of Sodium Trimer
16 Jahn–Teller Effect and Spin-Orbit Coupling in Heavy Alkali Trimers
17 Jahn-Teller Transitions in the Fe(II)Fe(III) Bimetallic Oxalates
Part V Jahn-Teller Effect in Mixed Valence Systems
18 Coherent Spin Dependent Landau-Zener Tunneling in Mixed Valence Dimers
19 Mixed Valence Iron Dimer in the Generalized Vibronic Model: Optical and Magnetic Properties
20 Spectroscopic Detection of Hopping Induced Mixed Valence of Ti and Sc in GdSc1−xTixO3 for x Greater than Percolation Threshold of 0.16
Part VI Cooperative Jahn-Teller Effect and Spin-Coupling Phenomena
21 Vibronic Approach to the Cooperative Spin Transitions in Crystals Based on Cyano-Bridged Pentanuclear M2Fe3 (M=Co, Os) Clusters
22 On the Interplay of Jahn–Teller Physics and Mott Physics in the Mechanism of High Tc Superconductivity
23 Vibronic Theory Approach to Ising Model Formalism and Pseudospin-Phonon Coupling in H-Bonded Materials
24 Virtual Phonon Exchange Influence on Magnetic Properties of Jahn-Teller Crystals: Triple Electronic Degeneracy
Index
with TOC BookMarkLinks[/